(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine

C108H113F9N18 — CID 159124389

IUPAC(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine
SMILESCc1cc(F)cc(F)c1N1c2ccccc2N(C)[C@@H]1C.Cc1cc(F)cc(F)c1N1c2cccnc2N(C)[C@@H]1C.Cc1cc(F)cc(F)c1N1c2ccncc2N(C)[C@@H]1C.Cc1cc(F)ccc1N1c2ccccc2N(C)[C@@H]1C.Cc1cc(F)ccc1N1c2cccnc2N(C)[C@@H]1C.Cc1cc(F)ccc1N1c2ccncc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C16H16F2N2.C16H17FN2.C16H18N2.2C15H15F2N3.2C15H16FN3/c1-10-8-12(17)9-13(18)16(10)20-11(2)19(3)14-6-4-5-7-15(14)20;1-11-10-13(17)8-9-14(11)19-12(2)18(3)15-6-4-5-7-16(15)19;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-9-6-11(16)7-12(17)15(9)20-10(2)19(3)14-8-18-5-4-13(14)20;1-9-7-11(16)8-12(17)14(9)20-10(2)19(3)15-13(20)5-4-6-18-15;1-10-8-12(16)4-5-13(10)19-11(2)18(3)15-9-17-7-6-14(15)19;1-10-9-12(16)6-7-13(10)19-11(2)18(3)15-14(19)5-4-8-17-15/h4-9,11H,1-3H3;4-10,12H,1-3H3;4-11,13H,1-3H3;2*4-8,10H,1-3H3;2*4-9,11H,1-3H3/t11-;12-;13-;2*10-;2*11-/m0000000/s1
InChIKeyKGCHLWJDTJOSFZ-DQSXIWPTSA-N
MW1834.20 g/mol
LogP26.33
Rot. Bonds7

About (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine

(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine (PubChem CID 159124389) has the molecular formula C108H113F9N18 and a molecular weight of 1834.20 g/mol. Its IUPAC name is (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine
PubChem CID159124389
Molecular FormulaC108H113F9N18
Molecular Weight1834.20 g/mol
Exact Mass1832.93
IUPAC Name(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine
SMILESCc1cc(F)cc(F)c1N1c2ccccc2N(C)[C@@H]1C.Cc1cc(F)cc(F)c1N1c2cccnc2N(C)[C@@H]1C.Cc1cc(F)cc(F)c1N1c2ccncc2N(C)[C@@H]1C.Cc1cc(F)ccc1N1c2ccccc2N(C)[C@@H]1C.Cc1cc(F)ccc1N1c2cccnc2N(C)[C@@H]1C.Cc1cc(F)ccc1N1c2ccncc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C
InChIInChI=1S/C16H16F2N2.C16H17FN2.C16H18N2.2C15H15F2N3.2C15H16FN3/c1-10-8-12(17)9-13(18)16(10)20-11(2)19(3)14-6-4-5-7-15(14)20;1-11-10-13(17)8-9-14(11)19-12(2)18(3)15-6-4-5-7-16(15)19;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-9-6-11(16)7-12(17)15(9)20-10(2)19(3)14-8-18-5-4-13(14)20;1-9-7-11(16)8-12(17)14(9)20-10(2)19(3)15-13(20)5-4-6-18-15;1-10-8-12(16)4-5-13(10)19-11(2)18(3)15-9-17-7-6-14(15)19;1-10-9-12(16)6-7-13(10)19-11(2)18(3)15-14(19)5-4-8-17-15/h4-9,11H,1-3H3;4-10,12H,1-3H3;4-11,13H,1-3H3;2*4-8,10H,1-3H3;2*4-9,11H,1-3H3/t11-;12-;13-;2*10-;2*11-/m0000000/s1
InChIKeyKGCHLWJDTJOSFZ-DQSXIWPTSA-N
XLogP26.33
TPSA96.92 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms135
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001834.20
LogP ≤ 526.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine?
The IUPAC name of (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine (CID 159124389) is (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine.
What is the SMILES notation for (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine?
The canonical SMILES for (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine is Cc1cc(F)cc(F)c1N1c2ccccc2N(C)[C@@H]1C.Cc1cc(F)cc(F)c1N1c2cccnc2N(C)[C@@H]1C.Cc1cc(F)cc(F)c1N1c2ccncc2N(C)[C@@H]1C.Cc1cc(F)ccc1N1c2ccccc2N(C)[C@@H]1C.Cc1cc(F)ccc1N1c2cccnc2N(C)[C@@H]1C.Cc1cc(F)ccc1N1c2ccncc2N(C)[C@@H]1C.Cc1ccccc1N1c2ccccc2N(C)[C@@H]1C.
What is the InChIKey of (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine?
The InChIKey is KGCHLWJDTJOSFZ-DQSXIWPTSA-N. The full InChI is InChI=1S/C16H16F2N2.C16H17FN2.C16H18N2.2C15H15F2N3.2C15H16FN3/c1-10-8-12(17)9-13(18)16(10)20-11(2)19(3)14-6-4-5-7-15(14)20;1-11-10-13(17)8-9-14(11)19-12(2)18(3)15-6-4-5-7-16(15)19;1-12-8-4-5-9-14(12)18-13(2)17(3)15-10-6-7-11-16(15)18;1-9-6-11(16)7-12(17)15(9)20-10(2)19(3)14-8-18-5-4-13(14)20;1-9-7-11(16)8-12(17)14(9)20-10(2)19(3)15-13(20)5-4-6-18-15;1-10-8-12(16)4-5-13(10)19-11(2)18(3)15-9-17-7-6-14(15)19;1-10-9-12(16)6-7-13(10)19-11(2)18(3)15-14(19)5-4-8-17-15/h4-9,11H,1-3H3;4-10,12H,1-3H3;4-11,13H,1-3H3;2*4-8,10H,1-3H3;2*4-9,11H,1-3H3/t11-;12-;13-;2*10-;2*11-/m0000000/s1.
What are the key properties of (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine?
(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine has a molecular weight of 1834.20 g/mol, XLogP of 26.33, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(2,4-difluoro-6-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-benzimidazole;(2R)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-b]pyridine;(2S)-1-(4-fluoro-2-methylphenyl)-2,3-dimethyl-2H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 159124389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).